3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide

C20H26N4O8 — CID 59628078

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H26N4O8/c25-15(5-9-23-17(27)1-2-18(23)28)21-7-11-31-13-14-32-12-8-22-16(26)6-10-24-19(29)3-4-20(24)30/h1-4H,5-14H2,(H,21,25)(H,22,26)
InChIKeyNGTBKODKRGBWIB-UHFFFAOYSA-N
MW450.45 g/mol
LogP-2.12
Rot. Bonds15

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 59628078) has the molecular formula C20H26N4O8 and a molecular weight of 450.45 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide
PubChem CID59628078
Molecular FormulaC20H26N4O8
Molecular Weight450.45 g/mol
Exact Mass450.18
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H26N4O8/c25-15(5-9-23-17(27)1-2-18(23)28)21-7-11-31-13-14-32-12-8-22-16(26)6-10-24-19(29)3-4-20(24)30/h1-4H,5-14H2,(H,21,25)(H,22,26)
InChIKeyNGTBKODKRGBWIB-UHFFFAOYSA-N
XLogP-2.12
TPSA151.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 5-2.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide (CID 59628078) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide is O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is NGTBKODKRGBWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O8/c25-15(5-9-23-17(27)1-2-18(23)28)21-7-11-31-13-14-32-12-8-22-16(26)6-10-24-19(29)3-4-20(24)30/h1-4H,5-14H2,(H,21,25)(H,22,26).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 450.45 g/mol, XLogP of -2.12, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 59628078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).